2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one

C25H27N7O3 — CID 138524659

IUPAC2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
SMILESCC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)N4CCN(C)CC4)cc(=O)c23)n1
InChIInChI=1S/C25H27N7O3/c1-16(2)32-15-26-29-24(32)18-7-5-9-22(28-18)27-17-6-4-8-20-23(17)19(33)14-21(35-20)25(34)31-12-10-30(3)11-13-31/h4-9,14-16H,10-13H2,1-3H3,(H,27,28)
InChIKeyUXEJXHSKCZYHMB-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.16
Rot. Bonds5

About 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one

2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one (PubChem CID 138524659) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
PubChem CID138524659
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
SMILESCC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)N4CCN(C)CC4)cc(=O)c23)n1
InChIInChI=1S/C25H27N7O3/c1-16(2)32-15-26-29-24(32)18-7-5-9-22(28-18)27-17-6-4-8-20-23(17)19(33)14-21(35-20)25(34)31-12-10-30(3)11-13-31/h4-9,14-16H,10-13H2,1-3H3,(H,27,28)
InChIKeyUXEJXHSKCZYHMB-UHFFFAOYSA-N
XLogP3.16
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524584
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524565
2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524656
2-(hydroxymethyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524585
N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide
CID 138524522
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one
CID 138524794
2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one
CID 138524744
methyl 4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinoline-2-carboxylate
CID 138524624
N-[2-[3-oxo-4-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-isoindol-2-yl]ethyl]acetamide
CID 138524558
7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one
CID 138524614
7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one
CID 138524606
8-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 157342036

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one (CID 138524659) is 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one is CC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)N4CCN(C)CC4)cc(=O)c23)n1.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
The InChIKey is UXEJXHSKCZYHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-16(2)32-15-26-29-24(32)18-7-5-9-22(28-18)27-17-6-4-8-20-23(17)19(33)14-21(35-20)25(34)31-12-10-30(3)11-13-31/h4-9,14-16H,10-13H2,1-3H3,(H,27,28).
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one has a molecular weight of 473.54 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one is sourced from PubChem (CID 138524659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).